[4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone

C17H25N3O — CID 63716005

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
SMILESCc1ccccc1N1CCN(C(=O)C2CNCC2C)CC1
InChIInChI=1S/C17H25N3O/c1-13-5-3-4-6-16(13)19-7-9-20(10-8-19)17(21)15-12-18-11-14(15)2/h3-6,14-15,18H,7-12H2,1-2H3
InChIKeySUPINNOTZCPYRD-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.50
Rot. Bonds2

About [4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone

[4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 63716005) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
PubChem CID63716005
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
SMILESCc1ccccc1N1CCN(C(=O)C2CNCC2C)CC1
InChIInChI=1S/C17H25N3O/c1-13-5-3-4-6-16(13)19-7-9-20(10-8-19)17(21)15-12-18-11-14(15)2/h3-6,14-15,18H,7-12H2,1-2H3
InChIKeySUPINNOTZCPYRD-UHFFFAOYSA-N
XLogP1.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone (CID 63716005) is [4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone is Cc1ccccc1N1CCN(C(=O)C2CNCC2C)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is SUPINNOTZCPYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-5-3-4-6-16(13)19-7-9-20(10-8-19)17(21)15-12-18-11-14(15)2/h3-6,14-15,18H,7-12H2,1-2H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone?
[4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 63716005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).